Sugi Predict

Sugi Predict / Compounds / SCHEMBL13619905

SCHEMBL13619905

SCHEMBL13619905

CN(c1ccc(C(F)(F)F)cc1)/[N+]([O-])=N/O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ ORAI1 Q96D31 1/20 0.34
▸ ORAI2 Q96SN7 1/20 0.34
▸ ORAI3 Q9BRQ5 1/20 0.34
▸ TRPV6 Q9H1D0 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ MGLL Q99685 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13619939 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10GAASMN1; SMN2TSHR
SCHEMBL13619908 0.76 ALDH1A1 (0.40) ALDH1A1HSD17B10ALOX15FBP1SMN1; SMN2
SCHEMBL16730126 0.75 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL13619907 0.73 MAPT (0.50) ALDH1A1HSD17B10GAACES1SMN1; SMN2
SCHEMBL10793008 0.69 KIF11 (0.47) KIF11HTR3EHTR3BPLAUHTR3A
SCHEMBL2056226 0.69 SLC2A1 (0.58) KIF11ALDH1A1HSD17B10GAAALOX15
SCHEMBL13367596 0.69 KIF11 (0.50) KIF11ALDH1A1CES2CES1ORAI1
SCHEMBL14438096 0.67 KIF11 (0.41) KIF11HTR3EHTR3BPLAUHTR3A
SCHEMBL18685866 0.66 KIF11 (0.52) KIF11HTR3EHTR3BPLAUHTR3A
SCHEMBL11874585 0.66 SMN1; SMN2 (0.42) KIF11FBP1CES2CES1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273202-B2 Nitroxyl progenitor compounds and methods of use THE JOHNS HOPKINS UNIVERSITY (US) 2019-04-30 — — US disclosed
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 — — US disclosed
US-20090281067-A1 Nitroxyl progenitor compounds and methods of use THE JOHN HOPKINS UNIVERSITY (US) 2009-11-12 — — US disclosed
US-20090281067-A1 Nitroxyl progenitor compounds and methods of use THE JOHN HOPKINS UNIVERSITY (US) 2009-11-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090281067-A1 Nitroxyl progenitor compounds and methods of use HMOX2, NNMT, HMOX1 KIF11 3304/4885HTR3E 2080/4885HTR3B 2302/4885
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE HMOX2, NNMT, HMOX1 KIF11 3304/4885HTR3E 2080/4885HTR3B 2302/4885
US-10273202-B2 Nitroxyl progenitor compounds and methods of use HMOX2, NNMT, HMOX1 KIF11 3304/4885HTR3E 2080/4885HTR3B 2302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.